N-[2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)NC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)NC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N6O4/c1-10-14-7-12(8-18-16(14)22(2)21-10)20-15(24)9-19-17(25)11-4-3-5-13(6-11)23(26)27/h3-8H,9H2,1-2H3,(H,19,25)(H,20,24)